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The Journal of Chemical Physics|August 19, 2025
Taylor-mode automatic differentiation for constructing molecular rovibrational Hamiltonian operatorsAndrey Yachmenev, Emil Vogt, Álvaro Fernández Corral, et al.The Journal of Chemical Physics|July 3, 2017
Structure-based sampling and self-correcting machine learning for accurate calculations of potential energy surfaces and vibrational levelsPavlo O Dral, Alec Owens, Sergei N Yurchenko, et al.Journal of Chemical Theory and Computation|January 3, 2024
Numerical Equivalence of Diabatic and Adiabatic Representations in Diatomic MoleculesRyan P Brady, Charlie Drury, Sergei N Yurchenko, et al.Physical Chemistry Chemical Physics : PCCP|October 7, 2016
Radiative cooling of H3O+ and its deuterated isotopologuesVladlen V Melnikov, Sergei N Yurchenko, Jonathan Tennyson, et al.The Journal of Chemical Physics|October 17, 2014
Study of the electronic and rovibronic structure of the X ²Σ⁺, A ²Π, and B ²Σ⁺ states of AlOAndrei T Patrascu, Christian Hill, Jonathan Tennyson, et al.The Journal of Chemical Physics|July 3, 2014
Rotational spectrum of SO3 and theoretical evidence for the formation of sixfold rotational energy-level clusters in its vibrational ground stateDaniel S Underwood, Sergei N Yurchenko, Jonathan Tennyson, et al.Physical Chemistry Chemical Physics : PCCP|September 28, 2021
Rovibronic spectroscopy of PN from first principlesMikhail Semenov, Nayla El-Kork, Sergei N Yurchenko, et al.The Journal of Chemical Physics|October 15, 2025
Transferability and interpretability of vibrational normalizing-flow coordinatesEmil Vogt, Álvaro Fernández Corral, Yahya Saleh, et al.The Journal of Chemical Physics|June 1, 2022
The nuclear-spin-forbidden rovibrational transitions of water from first principlesAndrey Yachmenev, Guang Yang, Emil Zak, et al.Physical Review Letters|January 11, 2020
Field-Induced Diastereomers for Chiral SeparationAndrey Yachmenev, Jolijn Onvlee, Emil Zak, et al.Pageof 9